(4S)-5-azanyl-2-phenyl-4-(2,3,4,5-tetrahydro-1H-azepin-1-ium-7-yl)-4H-pyrazol-3-one

Systemtic Name: (4S)-5-azanyl-2-phenyl-4-(2,3,4,5-tetrahydro-1H-azepin-1-ium-7-yl)-4H-pyrazol-3-one Openeye Name: (4S)-5-amino-2-phenyl-4-(2,3,4,5-tetrahydro-1H-azepin-1-ium-7-yl)-4H-pyrazol-3-one CAS Name: (4S)-5-amino-2-phenyl-4-(2,3,4,5-tetrahydro-1H-azepin-1-ium-7-yl)-4H-pyrazol-3-one IUPAC Name: (4S)-5-amino-2-phenyl-4-(2,3,4,5-tetrahydro-1H-azepin-1-ium-7-yl)-4H-pyrazol-3-one Traditional Name: (4S)-5-amino-2-phenyl-4-(2,3,4,5-tetrahydro-1H-azepin-1-ium-7-yl)-2-pyrazolin-3-one Formula: C15H19N4O+ MolecularWeight: 271.33756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH2+]C(=CC1)C2C(=NN(C2=O)C3=CC=CC=C3)N

Isomeric SMILES

C1CC[NH2+]C(=CC1)[C@H]2C(=NN(C2=O)C3=CC=CC=C3)N

InChI

InChI=1S/C15H18N4O/c16-14-13(12-9-5-2-6-10-17-12)15(20)19(18-14)11-7-3-1-4-8-11/h1,3-4,7-9,13,17H,2,5-6,10H2,(H2,16,18)/p+1/t13-/m0/s1