[(3R)-1-[(3-methylphenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone

Systemtic Name: [(3R)-1-[(3-methylphenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone Openeye Name: [(3R)-1-(m-tolylmethyl)piperidin-1-ium-3-yl]-(1-piperidyl)methanone CAS Name: [(3R)-1-[(3-methylphenyl)methyl]-3-piperidin-1-iumyl]-(1-piperidinyl)methanone IUPAC Name: [(3R)-1-[(3-methylphenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-ylmethanone Traditional Name: [(3R)-1-(3-methylbenzyl)piperidin-1-ium-3-yl]-piperidino-methanone Formula: C19H29N2O+ MolecularWeight: 301.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCCC(C2)C(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC[C@H](C2)C(=O)N3CCCCC3

InChI

InChI=1S/C19H28N2O/c1-16-7-5-8-17(13-16)14-20-10-6-9-18(15-20)19(22)21-11-3-2-4-12-21/h5,7-8,13,18H,2-4,6,9-12,14-15H2,1H3/p+1/t18-/m1/s1