1-[(2S)-5-(3-methoxyphenyl)pentan-2-yl]piperazin-4-ium

Systemtic Name: 1-[(2S)-5-(3-methoxyphenyl)pentan-2-yl]piperazin-4-ium Openeye Name: 1-[(1S)-4-(3-methoxyphenyl)-1-methyl-butyl]piperazin-4-ium CAS Name: 1-[(2S)-5-(3-methoxyphenyl)pentan-2-yl]piperazin-4-ium IUPAC Name: 1-[(2S)-5-(3-methoxyphenyl)pentan-2-yl]piperazin-4-ium Traditional Name: 1-[(1S)-4-(3-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(=CC=C1)OC)N2CC[NH2+]CC2

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O/c1-14(18-11-9-17-10-12-18)5-3-6-15-7-4-8-16(13-15)19-2/h4,7-8,13-14,17H,3,5-6,9-12H2,1-2H3/p+1/t14-/m0/s1