[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-(m-tolylmethyl)piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-[(3-methylphenyl)methyl]-4-piperidin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-(3-methylbenzyl)piperidin-1-ium-4-yl]-pyrrolidino-methanone Formula: C18H27N2O+ MolecularWeight: 287.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)N3CCCC3

InChI

InChI=1S/C18H26N2O/c1-15-5-4-6-16(13-15)14-19-11-7-17(8-12-19)18(21)20-9-2-3-10-20/h4-6,13,17H,2-3,7-12,14H2,1H3/p+1