1-[(S)-(4-methoxyphenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-[(S)-(4-methoxyphenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Openeye Name: 1-[(S)-(4-methoxyphenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium CAS Name: 1-[(S)-(4-methoxyphenyl)-(1-methyl-2-pyrrolyl)methyl]piperazin-4-ium IUPAC Name: 1-[(S)-(4-methoxyphenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Traditional Name: 1-[(S)-(4-methoxyphenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Formula: C17H24N3O+ MolecularWeight: 286.39196

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(C2=CC=C(C=C2)OC)N3CC[NH2+]CC3

Isomeric SMILES

CN1C=CC=C1[C@H](C2=CC=C(C=C2)OC)N3CC[NH2+]CC3

InChI

InChI=1S/C17H23N3O/c1-19-11-3-4-16(19)17(20-12-9-18-10-13-20)14-5-7-15(21-2)8-6-14/h3-8,11,17-18H,9-10,12-13H2,1-2H3/p+1/t17-/m0/s1