[(2R)-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-(4-propan-2-ylphenyl)propyl]azanium

Systemtic Name: [(2R)-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-(4-propan-2-ylphenyl)propyl]azanium Openeye Name: [(2R)-2-[(4-isopropylphenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium CAS Name: [(2R)-2-[(4-methyl-1-piperazin-4-iumyl)methyl]-3-(4-propan-2-ylphenyl)propyl]ammonium IUPAC Name: [(2R)-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-(4-propan-2-ylphenyl)propyl]azanium Traditional Name: [(2R)-2-(4-isopropylbenzyl)-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(C)C1=CC=C(C=C1)CC(C[NH3+])CN2CC[NH+](CC2)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[C@H](C[NH3+])CN2CC[NH+](CC2)C

InChI

InChI=1S/C18H31N3/c1-15(2)18-6-4-16(5-7-18)12-17(13-19)14-21-10-8-20(3)9-11-21/h4-7,15,17H,8-14,19H2,1-3H3/p+2/t17-/m1/s1