[6-(4-ethylpiperazin-4-ium-1-yl)pyridin-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone

Systemtic Name: [6-(4-ethylpiperazin-4-ium-1-yl)pyridin-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone Openeye Name: [6-(4-ethylpiperazin-4-ium-1-yl)-3-pyridyl]-[(4S)-4-phenylazepan-1-yl]methanone CAS Name: [6-(4-ethyl-1-piperazin-4-iumyl)-3-pyridinyl]-[(4S)-4-phenyl-1-azepanyl]methanone IUPAC Name: [6-(4-ethylpiperazin-4-ium-1-yl)pyridin-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone Traditional Name: [6-(4-ethylpiperazin-4-ium-1-yl)-3-pyridyl]-[(4S)-4-phenylazepan-1-yl]methanone Formula: C24H33N4O+ MolecularWeight: 393.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=C(C=C2)C(=O)N3CCCC(CC3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=C(C=C2)C(=O)N3CCC[C@@H](CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H32N4O/c1-2-26-15-17-27(18-16-26)23-11-10-22(19-25-23)24(29)28-13-6-9-21(12-14-28)20-7-4-3-5-8-20/h3-5,7-8,10-11,19,21H,2,6,9,12-18H2,1H3/p+1/t21-/m0/s1