N-[(2S)-pentan-2-yl]-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-[(2S)-pentan-2-yl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-[(1S)-1-methylbutyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[(2S)-pentan-2-yl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-[(2S)-pentan-2-yl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[(1S)-1-methylbutyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1=CC=C(C=C1)C[NH+]2CCCCC2

Isomeric SMILES

CCC[C@H](C)NC(=O)C1=CC=C(C=C1)C[NH+]2CCCCC2

InChI

InChI=1S/C18H28N2O/c1-3-7-15(2)19-18(21)17-10-8-16(9-11-17)14-20-12-5-4-6-13-20/h8-11,15H,3-7,12-14H2,1-2H3,(H,19,21)/p+1/t15-/m0/s1