(3S)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

Systemtic Name: (3S)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide Openeye Name: (3S)-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]chromane-3-carboxamide CAS Name: (3S)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide IUPAC Name: (3S)-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide Traditional Name: (3S)-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]chroman-3-carboxamide Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4CC5=CC=CC=C5OC4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)[C@H]4CC5=CC=CC=C5OC4

InChI

InChI=1S/C27H29N3O2/c31-27(23-18-22-8-4-5-9-26(22)32-20-23)28-24-10-12-25(13-11-24)30-16-14-29(15-17-30)19-21-6-2-1-3-7-21/h1-13,23H,14-20H2,(H,28,31)/p+1/t23-/m0/s1