[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-(1-ethylpiperidin-1-ium-4-yl)methanone

Systemtic Name: [(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-(1-ethylpiperidin-1-ium-4-yl)methanone Openeye Name: [(3S)-3-(3,4-dimethylanilino)-1-piperidyl]-(1-ethylpiperidin-1-ium-4-yl)methanone CAS Name: [(3S)-3-(3,4-dimethylanilino)-1-piperidinyl]-(1-ethyl-4-piperidin-1-iumyl)methanone IUPAC Name: [(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(1-ethylpiperidin-1-ium-4-yl)methanone Traditional Name: [(3S)-3-(3,4-dimethylanilino)piperidino]-(1-ethylpiperidin-1-ium-4-yl)methanone Formula: C21H34N3O+ MolecularWeight: 344.51416

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)C(=O)N2CCCC(C2)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CC[NH+]1CCC(CC1)C(=O)N2CCC[C@@H](C2)NC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C21H33N3O/c1-4-23-12-9-18(10-13-23)21(25)24-11-5-6-20(15-24)22-19-8-7-16(2)17(3)14-19/h7-8,14,18,20,22H,4-6,9-13,15H2,1-3H3/p+1/t20-/m0/s1