[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(1-oxidanidyl-5-phenethyl-pyridin-1-ium-3-yl)methanone

Systemtic Name: [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(1-oxidanidyl-5-phenethyl-pyridin-1-ium-3-yl)methanone Openeye Name: [4-[3-(aminomethyl)phenyl]-1-piperidyl]-(1-oxido-5-phenethyl-pyridin-1-ium-3-yl)methanone CAS Name: [4-[3-(aminomethyl)phenyl]-1-piperidinyl]-(1-oxido-5-phenethyl-3-pyridin-1-iumyl)methanone IUPAC Name: [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(1-oxido-5-phenethylpyridin-1-ium-3-yl)methanone Traditional Name: [4-[3-(aminomethyl)phenyl]piperidino]-(1-oxido-5-phenethyl-pyridin-1-ium-3-yl)methanone Formula: C26H29N3O2 MolecularWeight: 415.52736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC(=CC=C2)CN)C(=O)C3=CC(=C[N+](=C3)[O-])CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C2=CC(=CC=C2)CN)C(=O)C3=CC(=C[N+](=C3)[O-])CCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2/c27-17-21-7-4-8-24(15-21)23-11-13-28(14-12-23)26(30)25-16-22(18-29(31)19-25)10-9-20-5-2-1-3-6-20/h1-8,15-16,18-19,23H,9-14,17,27H2