[1-(2-cyanoethyl)indol-3-yl]methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium

Systemtic Name: [1-(2-cyanoethyl)indol-3-yl]methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Openeye Name: [1-(2-cyanoethyl)indol-3-yl]methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium CAS Name: [1-(2-cyanoethyl)-3-indolyl]methyl-[3-(4-methyl-1-piperazin-4-iumyl)propyl]ammonium IUPAC Name: [1-(2-cyanoethyl)indol-3-yl]methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Traditional Name: [1-(2-cyanoethyl)indol-3-yl]methyl-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium Formula: C20H31N5+2 MolecularWeight: 341.49364

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCC[NH2+]CC2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

C[NH+]1CCN(CC1)CCC[NH2+]CC2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C20H29N5/c1-23-12-14-24(15-13-23)10-5-9-22-16-18-17-25(11-4-8-21)20-7-3-2-6-19(18)20/h2-3,6-7,17,22H,4-5,9-16H2,1H3/p+2