N-[4-[4-[(4S)-4-phenylazepan-1-ium-1-yl]piperidin-1-yl]phenyl]pyrazine-2-carboxamide

Systemtic Name: N-[4-[4-[(4S)-4-phenylazepan-1-ium-1-yl]piperidin-1-yl]phenyl]pyrazine-2-carboxamide Openeye Name: N-[4-[4-[(4S)-4-phenylazepan-1-ium-1-yl]-1-piperidyl]phenyl]pyrazine-2-carboxamide CAS Name: N-[4-[4-[(4S)-4-phenyl-1-azepan-1-iumyl]-1-piperidinyl]phenyl]-2-pyrazinecarboxamide IUPAC Name: N-[4-[4-[(4S)-4-phenylazepan-1-ium-1-yl]piperidin-1-yl]phenyl]pyrazine-2-carboxamide Traditional Name: N-[4-[4-[(4S)-4-phenylazepan-1-ium-1-yl]piperidino]phenyl]pyrazinamide Formula: C28H34N5O+ MolecularWeight: 456.60246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC[NH+](C1)C2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=NC=CN=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CC[NH+](C1)C2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=NC=CN=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H33N5O/c34-28(27-21-29-15-16-30-27)31-24-8-10-25(11-9-24)33-19-13-26(14-20-33)32-17-4-7-23(12-18-32)22-5-2-1-3-6-22/h1-3,5-6,8-11,15-16,21,23,26H,4,7,12-14,17-20H2,(H,31,34)/p+1/t23-/m0/s1