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

Systemtic Name: [(3S)-3-methylpiperidin-1-yl]-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methanone Openeye Name: [(3S)-3-methyl-1-piperidyl]-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methanone CAS Name: [(3S)-3-methyl-1-piperidinyl]-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methanone IUPAC Name: [(3S)-3-methylpiperidin-1-yl]-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methanone Traditional Name: [(3S)-3-methylpiperidino]-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methanone Formula: C18H27N2O+ MolecularWeight: 287.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C18H26N2O/c1-15-5-4-12-20(13-15)18(21)17-8-6-16(7-9-17)14-19-10-2-3-11-19/h6-9,15H,2-5,10-14H2,1H3/p+1/t15-/m0/s1