(2S)-4-(cyclopropylmethyl)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: (2S)-4-(cyclopropylmethyl)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-4-(cyclopropylmethyl)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-4-(cyclopropylmethyl)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-4-(cyclopropylmethyl)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-4-(cyclopropylmethyl)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C19H22NO+ MolecularWeight: 280.38408

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C[NH+]2CC(OC3=CC=CC=C3C2)C4=CC=CC=C4

Isomeric SMILES

C1CC1C[NH+]2C[C@@H](OC3=CC=CC=C3C2)C4=CC=CC=C4

InChI

InChI=1S/C19H21NO/c1-2-6-16(7-3-1)19-14-20(12-15-10-11-15)13-17-8-4-5-9-18(17)21-19/h1-9,15,19H,10-14H2/p+1/t19-/m1/s1