6-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide

Systemtic Name: 6-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide Openeye Name: 6-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide CAS Name: 6-[(3S)-3,4-dimethyl-1-piperazin-4-iumyl]-N-[3-(4-methoxyphenyl)propyl]-3-pyridinecarboxamide IUPAC Name: 6-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide Traditional Name: 6-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-N-[3-(4-methoxyphenyl)propyl]nicotinamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH+]1C)C2=NC=C(C=C2)C(=O)NCCCC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H]1CN(CC[NH+]1C)C2=NC=C(C=C2)C(=O)NCCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H30N4O2/c1-17-16-26(14-13-25(17)2)21-11-8-19(15-24-21)22(27)23-12-4-5-18-6-9-20(28-3)10-7-18/h6-11,15,17H,4-5,12-14,16H2,1-3H3,(H,23,27)/p+1/t17-/m0/s1