N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]cyclobutanecarboxamide

Systemtic Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]cyclobutanecarboxamide Openeye Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]cyclobutanecarboxamide CAS Name: N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]cyclobutanecarboxamide IUPAC Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]cyclobutanecarboxamide Traditional Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]cyclobutanecarboxamide Formula: C18H27N2O+ MolecularWeight: 287.41978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3CCC3

InChI

InChI=1S/C18H26N2O/c21-18(16-8-4-9-16)19-17-10-5-12-20(14-17)13-11-15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2,(H,19,21)/p+1/t17-/m0/s1