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

Systemtic Name: 1-[(S)-(5-chloranyl-2-methoxy-phenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Openeye Name: 1-[(S)-(5-chloro-2-methoxy-phenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium CAS Name: 1-[(S)-(5-chloro-2-methoxyphenyl)-(1-methyl-2-pyrrolyl)methyl]piperazin-4-ium IUPAC Name: 1-[(S)-(5-chloro-2-methoxyphenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Traditional Name: 1-[(S)-(5-chloro-2-methoxy-phenyl)-(1-methylpyrrol-2-yl)methyl]piperazin-4-ium Formula: C17H23ClN3O+ MolecularWeight: 320.83702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN3O/c1-20-9-3-4-15(20)17(21-10-7-19-8-11-21)14-12-13(18)5-6-16(14)22-2/h3-6,9,12,17,19H,7-8,10-11H2,1-2H3/p+1/t17-/m0/s1