[(3S)-1-[(2-chlorophenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone

Systemtic Name: [(3S)-1-[(2-chlorophenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone Openeye Name: [(3S)-1-[(2-chlorophenyl)methyl]piperidin-1-ium-3-yl]-(1-piperidyl)methanone CAS Name: [(3S)-1-[(2-chlorophenyl)methyl]-3-piperidin-1-iumyl]-(1-piperidinyl)methanone IUPAC Name: [(3S)-1-[(2-chlorophenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-ylmethanone Traditional Name: [(3S)-1-(2-chlorobenzyl)piperidin-1-ium-3-yl]-piperidino-methanone Formula: C18H26ClN2O+ MolecularWeight: 321.86484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CCC[NH+](C2)CC3=CC=CC=C3Cl

Isomeric SMILES

C1CCN(CC1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C18H25ClN2O/c19-17-9-3-2-7-15(17)13-20-10-6-8-16(14-20)18(22)21-11-4-1-5-12-21/h2-3,7,9,16H,1,4-6,8,10-14H2/p+1/t16-/m0/s1