N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(8-methyl-4-oxo-quinazolin-3-yl)butanamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-(8-methyl-4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide Traditional Name: 4-(4-keto-8-methyl-quinazolin-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]butyramide Formula: C26H33N4O3+ MolecularWeight: 449.56522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCC4

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)NC[C@H](C3=CC=C(C=C3)OC)[NH+]4CCCC4

InChI

InChI=1S/C26H32N4O3/c1-19-7-5-8-22-25(19)28-18-30(26(22)32)16-6-9-24(31)27-17-23(29-14-3-4-15-29)20-10-12-21(33-2)13-11-20/h5,7-8,10-13,18,23H,3-4,6,9,14-17H2,1-2H3,(H,27,31)/p+1/t23-/m1/s1