1-[(2S)-5-(2-methoxy-5-methyl-phenyl)pentan-2-yl]piperazin-4-ium

Systemtic Name: 1-[(2S)-5-(2-methoxy-5-methyl-phenyl)pentan-2-yl]piperazin-4-ium Openeye Name: 1-[(1S)-4-(2-methoxy-5-methyl-phenyl)-1-methyl-butyl]piperazin-4-ium CAS Name: 1-[(2S)-5-(2-methoxy-5-methylphenyl)pentan-2-yl]piperazin-4-ium IUPAC Name: 1-[(2S)-5-(2-methoxy-5-methylphenyl)pentan-2-yl]piperazin-4-ium Traditional Name: 1-[(1S)-4-(2-methoxy-5-methyl-phenyl)-1-methyl-butyl]piperazin-4-ium Formula: C17H29N2O+ MolecularWeight: 277.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CCCC(C)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CCC[C@H](C)N2CC[NH2+]CC2

InChI

InChI=1S/C17H28N2O/c1-14-7-8-17(20-3)16(13-14)6-4-5-15(2)19-11-9-18-10-12-19/h7-8,13,15,18H,4-6,9-12H2,1-3H3/p+1/t15-/m0/s1