(2R)-4-(cyclopropylmethyl)-7-methyl-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: (2R)-4-(cyclopropylmethyl)-7-methyl-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2R)-4-(cyclopropylmethyl)-7-methyl-2-(3-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2R)-4-(cyclopropylmethyl)-7-methyl-2-(3-thiophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2R)-4-(cyclopropylmethyl)-7-methyl-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2R)-4-(cyclopropylmethyl)-7-methyl-2-(3-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C18H22NOS+ MolecularWeight: 300.43838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C[NH+](C2)CC3CC3)C4=CSC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@@H](C[NH+](C2)CC3CC3)C4=CSC=C4

InChI

InChI=1S/C18H21NOS/c1-13-2-5-17-16(8-13)10-19(9-14-3-4-14)11-18(20-17)15-6-7-21-12-15/h2,5-8,12,14,18H,3-4,9-11H2,1H3/p+1/t18-/m0/s1