N-methyl-N-(phenylmethyl)-3-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-methyl-N-(phenylmethyl)-3-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-benzyl-N-methyl-3-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-methyl-N-(phenylmethyl)-3-[1-[(2S)-2-phenylpropyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-benzyl-N-methyl-3-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-benzyl-N-methyl-3-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]propionamide Formula: C25H35N2O+ MolecularWeight: 379.5582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCC(CC1)CCC(=O)N(C)CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C[NH+]1CCC(CC1)CCC(=O)N(C)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H34N2O/c1-21(24-11-7-4-8-12-24)19-27-17-15-22(16-18-27)13-14-25(28)26(2)20-23-9-5-3-6-10-23/h3-12,21-22H,13-20H2,1-2H3/p+1/t21-/m1/s1