N-[2-[1-[2-(3-azanyl-4-methyl-phenyl)ethyl]-4-methanoyl-piperazin-1-ium-1-yl]ethyl]methanamide

Systemtic Name: N-[2-[1-[2-(3-azanyl-4-methyl-phenyl)ethyl]-4-methanoyl-piperazin-1-ium-1-yl]ethyl]methanamide Openeye Name: N-[2-[1-[2-(3-amino-4-methyl-phenyl)ethyl]-4-formyl-piperazin-1-ium-1-yl]ethyl]formamide CAS Name: N-[2-[1-[2-(3-amino-4-methylphenyl)ethyl]-4-formyl-1-piperazin-1-iumyl]ethyl]formamide IUPAC Name: N-[2-[1-[2-(3-amino-4-methylphenyl)ethyl]-4-formylpiperazin-1-ium-1-yl]ethyl]formamide Traditional Name: N-[2-[1-[2-(3-amino-4-methyl-phenyl)ethyl]-4-formyl-piperazin-1-ium-1-yl]ethyl]formamide Formula: C17H27N4O2+ MolecularWeight: 319.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC[N+]2(CCN(CC2)C=O)CCNC=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)CC[N+]2(CCN(CC2)C=O)CCNC=O)N

InChI

InChI=1S/C17H26N4O2/c1-15-2-3-16(12-17(15)18)4-8-21(9-5-19-13-22)10-6-20(14-23)7-11-21/h2-3,12-14H,4-11,18H2,1H3/p+1