1-[(2S)-butan-2-yl]-5-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-4-oxidanylidene-N-prop-2-enyl-pyridine-3-carboxamide

Systemtic Name: 1-[(2S)-butan-2-yl]-5-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-4-oxidanylidene-N-prop-2-enyl-pyridine-3-carboxamide Openeye Name: N-allyl-5-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-1-[(1S)-1-methylpropyl]-4-oxo-pyridine-3-carboxamide CAS Name: 1-[(2S)-butan-2-yl]-5-[[4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-4-oxo-N-prop-2-enyl-3-pyridinecarboxamide IUPAC Name: 1-[(2S)-butan-2-yl]-5-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide Traditional Name: N-allyl-4-keto-5-(4-m-anisylpiperazin-4-ium-1-carbonyl)-1-[(1S)-1-methylpropyl]nicotinamide Formula: C26H35N4O4+ MolecularWeight: 467.5805

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC)C(=O)NCC=C

Isomeric SMILES

CC[C@H](C)N1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC)C(=O)NCC=C

InChI

InChI=1S/C26H34N4O4/c1-5-10-27-25(32)22-17-30(19(3)6-2)18-23(24(22)31)26(33)29-13-11-28(12-14-29)16-20-8-7-9-21(15-20)34-4/h5,7-9,15,17-19H,1,6,10-14,16H2,2-4H3,(H,27,32)/p+1/t19-/m0/s1