N-[2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-3,4-dimethyl-benzamide Openeye Name: N-[2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-3,4-dimethyl-benzamide CAS Name: N-[2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]-3,4-dimethylbenzamide IUPAC Name: N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide Traditional Name: N-[2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-3,4-dimethyl-benzamide Formula: C23H35N4O3+ MolecularWeight: 415.549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3)C

InChI

InChI=1S/C23H34N4O3/c1-18-7-8-20(15-19(18)2)23(30)24-16-21(28)27-13-11-25(12-14-27)17-22(29)26-9-5-3-4-6-10-26/h7-8,15H,3-6,9-14,16-17H2,1-2H3,(H,24,30)/p+1