N-[4-[4-(4-methanoyl-1,4-diazepan-1-ium-1-yl)piperidin-1-yl]phenyl]-2,4-dimethyl-benzamide

Systemtic Name: N-[4-[4-(4-methanoyl-1,4-diazepan-1-ium-1-yl)piperidin-1-yl]phenyl]-2,4-dimethyl-benzamide Openeye Name: N-[4-[4-(4-formyl-1,4-diazepan-1-ium-1-yl)-1-piperidyl]phenyl]-2,4-dimethyl-benzamide CAS Name: N-[4-[4-(4-formyl-1,4-diazepan-1-ium-1-yl)-1-piperidinyl]phenyl]-2,4-dimethylbenzamide IUPAC Name: N-[4-[4-(4-formyl-1,4-diazepan-1-ium-1-yl)piperidin-1-yl]phenyl]-2,4-dimethylbenzamide Traditional Name: N-[4-[4-(4-formyl-1,4-diazepan-1-ium-1-yl)piperidino]phenyl]-2,4-dimethyl-benzamide Formula: C26H35N4O2+ MolecularWeight: 435.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCC(CC3)[NH+]4CCCN(CC4)C=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCC(CC3)[NH+]4CCCN(CC4)C=O)C

InChI

InChI=1S/C26H34N4O2/c1-20-4-9-25(21(2)18-20)26(32)27-22-5-7-23(8-6-22)30-14-10-24(11-15-30)29-13-3-12-28(19-31)16-17-29/h4-9,18-19,24H,3,10-17H2,1-2H3,(H,27,32)/p+1