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

Systemtic Name: (2S)-7-methyl-4-(1-propylpiperidin-4-yl)-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-7-methyl-4-(1-propyl-4-piperidyl)-2-(3-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-7-methyl-4-(1-propyl-4-piperidinyl)-2-(3-thiophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-7-methyl-4-(1-propylpiperidin-4-yl)-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-7-methyl-4-(1-propyl-4-piperidyl)-2-(3-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C22H31N2OS+ MolecularWeight: 371.55934

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)[NH+]2CC(OC3=C(C2)C=C(C=C3)C)C4=CSC=C4

Isomeric SMILES

CCCN1CCC(CC1)[NH+]2C[C@@H](OC3=C(C2)C=C(C=C3)C)C4=CSC=C4

InChI

InChI=1S/C22H30N2OS/c1-3-9-23-10-6-20(7-11-23)24-14-19-13-17(2)4-5-21(19)25-22(15-24)18-8-12-26-16-18/h4-5,8,12-13,16,20,22H,3,6-7,9-11,14-15H2,1-2H3/p+1/t22-/m1/s1