[(3S)-3-(3,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium

Systemtic Name: [(3S)-3-(3,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Openeye Name: [(3S)-3-(3,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium CAS Name: [(3S)-3-(3,4-dimethoxyphenyl)-3-(4-methyl-1-piperazin-4-iumyl)propyl]ammonium IUPAC Name: [(3S)-3-(3,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Traditional Name: [(3S)-3-(3,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium Formula: C16H29N3O2+2 MolecularWeight: 295.42036

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CC[NH3+])C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H](CC[NH3+])C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H27N3O2/c1-18-8-10-19(11-9-18)14(6-7-17)13-4-5-15(20-2)16(12-13)21-3/h4-5,12,14H,6-11,17H2,1-3H3/p+2/t14-/m0/s1