N-[4-[(2S)-butan-2-yl]phenyl]-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-[4-[(1S)-1-methylpropyl]phenyl]-4-(4-pyridylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-(pyridin-4-ylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-[4-[(1S)-1-methylpropyl]phenyl]-4-(4-pyridylmethyl)piperazin-4-ium-1-carboxamide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C21H28N4O/c1-3-17(2)19-4-6-20(7-5-19)23-21(26)25-14-12-24(13-15-25)16-18-8-10-22-11-9-18/h4-11,17H,3,12-16H2,1-2H3,(H,23,26)/p+1/t17-/m0/s1