3-(4-methylpiperazin-4-ium-1-yl)propyl-[(2R)-4-phenylbutan-2-yl]azanium

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-[(2R)-4-phenylbutan-2-yl]azanium Openeye Name: [(1R)-1-methyl-3-phenyl-propyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium CAS Name: 3-(4-methyl-1-piperazin-4-iumyl)propyl-[(2R)-4-phenylbutan-2-yl]ammonium IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-[(2R)-4-phenylbutan-2-yl]azanium Traditional Name: [(1R)-1-methyl-3-phenyl-propyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium Formula: C18H33N3+2 MolecularWeight: 291.47472

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH2+]CCCN2CC[NH+](CC2)C

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)[NH2+]CCCN2CC[NH+](CC2)C

InChI

InChI=1S/C18H31N3/c1-17(9-10-18-7-4-3-5-8-18)19-11-6-12-21-15-13-20(2)14-16-21/h3-5,7-8,17,19H,6,9-16H2,1-2H3/p+2/t17-/m1/s1