(3S)-3-(4-methylpiperazin-1-yl)-4-(3-propan-2-ylphenoxy)butan-1-amine

Systemtic Name: (3S)-3-(4-methylpiperazin-1-yl)-4-(3-propan-2-ylphenoxy)butan-1-amine Openeye Name: (3S)-4-(3-isopropylphenoxy)-3-(4-methylpiperazin-1-yl)butan-1-amine CAS Name: (3S)-3-(4-methyl-1-piperazinyl)-4-(3-propan-2-ylphenoxy)-1-butanamine IUPAC Name: (3S)-3-(4-methylpiperazin-1-yl)-4-(3-propan-2-ylphenoxy)butan-1-amine Traditional Name: [(3S)-4-(3-isopropylphenoxy)-3-(4-methylpiperazino)butyl]amine Formula: C18H31N3O MolecularWeight: 305.45824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OCC(CCN)N2CCN(CC2)C

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OC[C@H](CCN)N2CCN(CC2)C

InChI

InChI=1S/C18H31N3O/c1-15(2)16-5-4-6-18(13-16)22-14-17(7-8-19)21-11-9-20(3)10-12-21/h4-6,13,15,17H,7-12,14,19H2,1-3H3/t17-/m0/s1