[(3S)-3-methylpiperidin-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone

Systemtic Name: [(3S)-3-methylpiperidin-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Openeye Name: [(3S)-3-methyl-1-piperidyl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone CAS Name: [(3S)-3-methyl-1-piperidinyl]-[4-(1-piperidin-1-iumylmethyl)phenyl]methanone IUPAC Name: [(3S)-3-methylpiperidin-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Traditional Name: [(3S)-3-methylpiperidino]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Formula: C19H29N2O+ MolecularWeight: 301.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C19H28N2O/c1-16-6-5-13-21(14-16)19(22)18-9-7-17(8-10-18)15-20-11-3-2-4-12-20/h7-10,16H,2-6,11-15H2,1H3/p+1/t16-/m0/s1