4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]-3,4-diphenyl-piperazin-4-ium-2-carboxylic acid

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]-3,4-diphenyl-piperazin-4-ium-2-carboxylic acid Openeye Name: 4-(2-amino-2-oxo-ethyl)-1,3-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]-3,4-diphenyl-piperazin-4-ium-2-carboxylic acid CAS Name: 4-(2-amino-2-oxoethyl)-1,3-dimethyl-2-[(4-methyl-1-piperazinyl)methyl]-3,4-diphenyl-2-piperazin-4-iumcarboxylic acid IUPAC Name: 4-(2-amino-2-oxoethyl)-1,3-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]-3,4-diphenylpiperazin-4-ium-2-carboxylic acid Traditional Name: 4-(2-amino-2-keto-ethyl)-1,3-dimethyl-2-[(4-methylpiperazino)methyl]-3,4-diphenyl-piperazin-4-ium-2-carboxylic acid Formula: C27H38N5O3+ MolecularWeight: 480.62232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CC[N+]1(CC(=O)N)C2=CC=CC=C2)C)(CN3CCN(CC3)C)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1(C(N(CC[N+]1(CC(=O)N)C2=CC=CC=C2)C)(CN3CCN(CC3)C)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H37N5O3/c1-26(22-10-6-4-7-11-22)27(25(34)35,21-31-16-14-29(2)15-17-31)30(3)18-19-32(26,20-24(28)33)23-12-8-5-9-13-23/h4-13H,14-21H2,1-3H3,(H2-,28,33,34,35)/p+1