N-[(3R,4R)-1-(cyclopropylmethyl)-4-oxidanyl-azepan-1-ium-3-yl]-4-prop-2-ynoxy-benzamide

Systemtic Name: N-[(3R,4R)-1-(cyclopropylmethyl)-4-oxidanyl-azepan-1-ium-3-yl]-4-prop-2-ynoxy-benzamide Openeye Name: N-[(3R,4R)-1-(cyclopropylmethyl)-4-hydroxy-azepan-1-ium-3-yl]-4-prop-2-ynoxy-benzamide CAS Name: N-[(3R,4R)-1-(cyclopropylmethyl)-4-hydroxy-3-azepan-1-iumyl]-4-prop-2-ynoxybenzamide IUPAC Name: N-[(3R,4R)-1-(cyclopropylmethyl)-4-hydroxyazepan-1-ium-3-yl]-4-prop-2-ynoxybenzamide Traditional Name: N-[(3R,4R)-1-(cyclopropylmethyl)-4-hydroxy-azepan-1-ium-3-yl]-4-propargyloxy-benzamide Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=C(C=C1)C(=O)NC2C[NH+](CCCC2O)CC3CC3

Isomeric SMILES

C#CCOC1=CC=C(C=C1)C(=O)N[C@@H]2C[NH+](CCC[C@H]2O)CC3CC3

InChI

InChI=1S/C20H26N2O3/c1-2-12-25-17-9-7-16(8-10-17)20(24)21-18-14-22(13-15-5-6-15)11-3-4-19(18)23/h1,7-10,15,18-19,23H,3-6,11-14H2,(H,21,24)/p+1/t18-,19-/m1/s1