[(4S)-4-(4-methylpiperazin-4-ium-1-yl)-4-(4-propan-2-ylphenyl)butyl]azanium

Systemtic Name: [(4S)-4-(4-methylpiperazin-4-ium-1-yl)-4-(4-propan-2-ylphenyl)butyl]azanium Openeye Name: [(4S)-4-(4-isopropylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)butyl]ammonium CAS Name: [(4S)-4-(4-methyl-1-piperazin-4-iumyl)-4-(4-propan-2-ylphenyl)butyl]ammonium IUPAC Name: [(4S)-4-(4-methylpiperazin-4-ium-1-yl)-4-(4-propan-2-ylphenyl)butyl]azanium Traditional Name: [(4S)-4-(4-methylpiperazin-4-ium-1-yl)-4-p-cumenyl-butyl]ammonium Formula: C18H33N3+2 MolecularWeight: 291.47472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(CCC[NH3+])N2CC[NH+](CC2)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H](CCC[NH3+])N2CC[NH+](CC2)C

InChI

InChI=1S/C18H31N3/c1-15(2)16-6-8-17(9-7-16)18(5-4-10-19)21-13-11-20(3)12-14-21/h6-9,15,18H,4-5,10-14,19H2,1-3H3/p+2/t18-/m0/s1