1-[(2S)-5-(4-propan-2-ylphenyl)pentan-2-yl]piperazin-4-ium

Systemtic Name: 1-[(2S)-5-(4-propan-2-ylphenyl)pentan-2-yl]piperazin-4-ium Openeye Name: 1-[(1S)-4-(4-isopropylphenyl)-1-methyl-butyl]piperazin-4-ium CAS Name: 1-[(2S)-5-(4-propan-2-ylphenyl)pentan-2-yl]piperazin-4-ium IUPAC Name: 1-[(2S)-5-(4-propan-2-ylphenyl)pentan-2-yl]piperazin-4-ium Traditional Name: 1-[(1S)-1-methyl-4-p-cumenyl-butyl]piperazin-4-ium Formula: C18H31N2+ MolecularWeight: 275.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CCCC(C)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](CCCC1=CC=C(C=C1)C(C)C)N2CC[NH2+]CC2

InChI

InChI=1S/C18H30N2/c1-15(2)18-9-7-17(8-10-18)6-4-5-16(3)20-13-11-19-12-14-20/h7-10,15-16,19H,4-6,11-14H2,1-3H3/p+1/t16-/m0/s1