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

Systemtic Name: 1-[(2S)-5-(4-methoxyphenyl)pentan-2-yl]piperazin-4-ium Openeye Name: 1-[(1S)-4-(4-methoxyphenyl)-1-methyl-butyl]piperazin-4-ium CAS Name: 1-[(2S)-5-(4-methoxyphenyl)pentan-2-yl]piperazin-4-ium IUPAC Name: 1-[(2S)-5-(4-methoxyphenyl)pentan-2-yl]piperazin-4-ium Traditional Name: 1-[(1S)-4-(4-methoxyphenyl)-1-methyl-butyl]piperazin-4-ium Formula: C16H27N2O+ MolecularWeight: 263.39838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O/c1-14(18-12-10-17-11-13-18)4-3-5-15-6-8-16(19-2)9-7-15/h6-9,14,17H,3-5,10-13H2,1-2H3/p+1/t14-/m0/s1